3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C12H23N5O — CID 91765640

IUPAC3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3
InChIKeySKKAAXLPIVMTFR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds6

About 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91765640) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91765640
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3
InChIKeySKKAAXLPIVMTFR-UHFFFAOYSA-N
XLogP0.19
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[trans-3-(4-methyl-5-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91792047
2-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 91794321
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
N~2~-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N~1~,N~2~-dimethylglycinamide
CID 91766989
3-[{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]propan-1-ol
CID 91768421
(3R)-1-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-3-ol
CID 91774698
N-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N-methylglycine
CID 91776393
1-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 91777892
cis-3-(4-ethyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine
CID 91780298
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433
trans-3-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91794902
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91765640) is 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN(C)C)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is SKKAAXLPIVMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91765640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).